1.0 2011-09-21 01:37:43 UTC 2015-10-09 22:33:26 UTC FDB028310 1-Methyladenine 1-Methyladenine is the product of reaction between 1-methyladenosine and water which is catalyzed by 1-methyladenosine nucleosidase. (EC:3.2.2.13) 1-Methyladenine is a product of alkylation damage in DNA which can be repaired by damage reversal by oxidative demethylation, a reaction requiring ferrous iron and 2-oxoglutarate as cofactor and co-substrate, respectively. (PMID:15576352) [HMDB] 1-Methyl-1H-Purin-6-amine 1-Methyl-1H-purin-6-ylamine 1-Methyl-Adenine 1-methyladenine 1, 9-Dihydro-1-methyl-6H-Purin-6-imine N1-Methyladenine C6H7N5 149.1533 149.070145249 1-methyl-1H-purin-6-amine 1-methyl-1H-purin-6-amine 5142-22-3 CN1C=NC2=NC=NC2=C1N InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,7H2,1H3 HPZMWTNATZPBIH-UHFFFAOYSA-N belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. 6-aminopurines Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Aromatic heteropolycyclic compounds Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Organopnictogen compounds Primary amines 6-aminopurine Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Imidazole Organic nitrogen compound Organonitrogen compound Organopnictogen compound Primary amine Pyrimidine a small molecule methyladenine Solid logp -1.15 ALOGPS logs -1.89 ALOGPS solubility 1.91e+00 g/l ALOGPS logp -0.5 ChemAxon pka_strongest_basic 0.24 ChemAxon iupac 1-methyl-1H-purin-6-amine ChemAxon average_mass 149.1533 ChemAxon mono_mass 149.070145249 ChemAxon smiles CN1C=NC2=NC=NC2=C1N ChemAxon formula C6H7N5 ChemAxon inchi InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,7H2,1H3 ChemAxon inchikey HPZMWTNATZPBIH-UHFFFAOYSA-N ChemAxon polar_surface_area 69.62 ChemAxon refractivity 41.81 ChemAxon polarizability 14.43 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1976 Specdb::CMs 24029 Specdb::CMs 166625 Specdb::MsIr 2516 Specdb::MsIr 2517 Specdb::MsIr 2518 Specdb::MsMs 72579 Specdb::MsMs 72580 Specdb::MsMs 72581 Specdb::MsMs 131550 Specdb::MsMs 131551 Specdb::MsMs 131552 Specdb::MsMs 2346845 Specdb::MsMs 2346846 Specdb::MsMs 2346847 Specdb::MsMs 2591737 Specdb::MsMs 2591738 Specdb::MsMs 2591739 Specdb::NmrOneD 2042 Specdb::NmrOneD 93332 Specdb::NmrOneD 93333 Specdb::NmrOneD 93334 Specdb::NmrOneD 93335 Specdb::NmrOneD 93336 Specdb::NmrOneD 93337 Specdb::NmrOneD 93338 Specdb::NmrOneD 93339 Specdb::NmrOneD 93340 Specdb::NmrOneD 93341 Specdb::NmrOneD 93342 Specdb::NmrOneD 93343 Specdb::NmrOneD 93344 Specdb::NmrOneD 93345 Specdb::NmrOneD 93346 Specdb::NmrOneD 93347 Specdb::NmrOneD 93348 Specdb::NmrOneD 93349 Specdb::NmrOneD 93350 Specdb::NmrOneD 93351 Specdb::NmrOneD 166600 HMDB11599 18083 #<Reference:0x000055ce322f8db0> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823